5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine

C12H19N3O2S2 — CID 103349436

IUPAC5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine
SMILESCCN(CC1CC1)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H19N3O2S2/c1-2-15(7-8-3-4-8)12-10(11(13)14-18-12)19(16,17)9-5-6-9/h8-9H,2-7H2,1H3,(H2,13,14)
InChIKeyFNZPJLCYLBFEAS-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.90
Rot. Bonds6

About 5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine

5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine (PubChem CID 103349436) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine
PubChem CID103349436
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine
SMILESCCN(CC1CC1)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H19N3O2S2/c1-2-15(7-8-3-4-8)12-10(11(13)14-18-12)19(16,17)9-5-6-9/h8-9H,2-7H2,1H3,(H2,13,14)
InChIKeyFNZPJLCYLBFEAS-UHFFFAOYSA-N
XLogP1.90
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103349899
4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103349359
3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381988
4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103349196
5-N-(cyclobutylmethyl)-5-N-ethyl-4-methyl-1,2-thiazole-3,5-diamine
CID 107403290
4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349074
5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360778
5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103382051
5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine
CID 107403288
5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349511
4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349182
4-cyclopropylsulfonyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348893

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine (CID 103349436) is 5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine is CCN(CC1CC1)c1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine?
The InChIKey is FNZPJLCYLBFEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-2-15(7-8-3-4-8)12-10(11(13)14-18-12)19(16,17)9-5-6-9/h8-9H,2-7H2,1H3,(H2,13,14).
What are the key properties of 5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine?
5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine has a molecular weight of 301.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).